tert-butyl 2-phenyl-5-(3,4,5-trimethoxybenzoyl)-2,4-dihydroimidazole-3-carboxylate

C24H28N2O6 — CID 91124927

IUPACtert-butyl 2-phenyl-5-(3,4,5-trimethoxybenzoyl)-2,4-dihydroimidazole-3-carboxylate
SMILESCOc1cc(C(=O)C2=NC(c3ccccc3)N(C(=O)OC(C)(C)C)C2)cc(OC)c1OC
InChIInChI=1S/C24H28N2O6/c1-24(2,3)32-23(28)26-14-17(25-22(26)15-10-8-7-9-11-15)20(27)16-12-18(29-4)21(31-6)19(13-16)30-5/h7-13,22H,14H2,1-6H3
InChIKeyZBGIPUOQMNFNPO-UHFFFAOYSA-N
MW440.50 g/mol
LogP4.29
Rot. Bonds6

About tert-butyl 2-phenyl-5-(3,4,5-trimethoxybenzoyl)-2,4-dihydroimidazole-3-carboxylate

tert-butyl 2-phenyl-5-(3,4,5-trimethoxybenzoyl)-2,4-dihydroimidazole-3-carboxylate (PubChem CID 91124927) has the molecular formula C24H28N2O6 and a molecular weight of 440.50 g/mol. Its IUPAC name is tert-butyl 2-phenyl-5-(3,4,5-trimethoxybenzoyl)-2,4-dihydroimidazole-3-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-phenyl-5-(3,4,5-trimethoxybenzoyl)-2,4-dihydroimidazole-3-carboxylate
PubChem CID91124927
Molecular FormulaC24H28N2O6
Molecular Weight440.50 g/mol
Exact Mass440.19
IUPAC Nametert-butyl 2-phenyl-5-(3,4,5-trimethoxybenzoyl)-2,4-dihydroimidazole-3-carboxylate
SMILESCOc1cc(C(=O)C2=NC(c3ccccc3)N(C(=O)OC(C)(C)C)C2)cc(OC)c1OC
InChIInChI=1S/C24H28N2O6/c1-24(2,3)32-23(28)26-14-17(25-22(26)15-10-8-7-9-11-15)20(27)16-12-18(29-4)21(31-6)19(13-16)30-5/h7-13,22H,14H2,1-6H3
InChIKeyZBGIPUOQMNFNPO-UHFFFAOYSA-N
XLogP4.29
TPSA86.66 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.50
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

tert-butyl (2S)-2-phenylaziridine-1-carboxylate
CID 11769967
(2-phenylpiperidin-1-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 119033998
tert-butyl 1,2-dimethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-6-carboxylate
CID 71816662
(3-hydroxy-2-phenyl-2H-1,3-thiazol-4-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 165412054
tert-butyl N-[2-(3,4,5-trimethoxybenzoyl)phenyl]carbamate
CID 19876877
tert-butyl (1R,5R,6S)-6-phenyl-2-azabicyclo[3.1.0]hexane-2-carboxylate
CID 178086462
tert-butyl (2S)-2-phenylpyrrolidine-1-carboxylate
CID 10999368
tert-butyl (2S,3R)-3-hydroxy-2-phenylpiperidine-1-carboxylate;tert-butyl (2R,3S)-3-hydroxy-2-phenylpiperidine-1-carboxylate
CID 167995330
tert-butyl (4R)-2-pyridin-3-yl-4-[[3-(3,4,5-trimethoxybenzoyl)phenyl]carbamoyl]-1,3-thiazolidine-3-carboxylate
CID 10460844
(2S,3R)-1-[(2-methylpropan-2-yl)oxycarbonyl]-3-phenylazetidine-2-carboxylic acid
CID 171397063
tert-butyl 4-[3-methoxy-4-(1H-pyrazol-4-yl)benzoyl]-3-phenylpiperazine-1-carboxylate
CID 118900489
tert-butyl 4-[2-methoxy-N-[[2-(3,4,5-trimethoxyphenyl)-4-pyridinyl]methyl]anilino]piperidine-1-carboxylate
CID 22557834

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-phenyl-5-(3,4,5-trimethoxybenzoyl)-2,4-dihydroimidazole-3-carboxylate?
The IUPAC name of tert-butyl 2-phenyl-5-(3,4,5-trimethoxybenzoyl)-2,4-dihydroimidazole-3-carboxylate (CID 91124927) is tert-butyl 2-phenyl-5-(3,4,5-trimethoxybenzoyl)-2,4-dihydroimidazole-3-carboxylate.
What is the SMILES notation for tert-butyl 2-phenyl-5-(3,4,5-trimethoxybenzoyl)-2,4-dihydroimidazole-3-carboxylate?
The canonical SMILES for tert-butyl 2-phenyl-5-(3,4,5-trimethoxybenzoyl)-2,4-dihydroimidazole-3-carboxylate is COc1cc(C(=O)C2=NC(c3ccccc3)N(C(=O)OC(C)(C)C)C2)cc(OC)c1OC.
What is the InChIKey of tert-butyl 2-phenyl-5-(3,4,5-trimethoxybenzoyl)-2,4-dihydroimidazole-3-carboxylate?
The InChIKey is ZBGIPUOQMNFNPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O6/c1-24(2,3)32-23(28)26-14-17(25-22(26)15-10-8-7-9-11-15)20(27)16-12-18(29-4)21(31-6)19(13-16)30-5/h7-13,22H,14H2,1-6H3.
What are the key properties of tert-butyl 2-phenyl-5-(3,4,5-trimethoxybenzoyl)-2,4-dihydroimidazole-3-carboxylate?
tert-butyl 2-phenyl-5-(3,4,5-trimethoxybenzoyl)-2,4-dihydroimidazole-3-carboxylate has a molecular weight of 440.50 g/mol, XLogP of 4.29, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-phenyl-5-(3,4,5-trimethoxybenzoyl)-2,4-dihydroimidazole-3-carboxylate is sourced from PubChem (CID 91124927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).